N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide

C25H29N3O2 — CID 91635045

IUPACN-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)C3CCC3)ccc21
InChIInChI=1S/C25H29N3O2/c1-2-3-14-28-22-13-12-21(27-24(29)19-10-7-11-19)15-20(22)16-23(28)25(30)26-17-18-8-5-4-6-9-18/h4-6,8-9,12-13,15-16,19H,2-3,7,10-11,14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyRMMVBVYUFTUCKM-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.11
Rot. Bonds8

About N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide

N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide (PubChem CID 91635045) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
PubChem CID91635045
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
SMILESCCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)C3CCC3)ccc21
InChIInChI=1S/C25H29N3O2/c1-2-3-14-28-22-13-12-21(27-24(29)19-10-7-11-19)15-20(22)16-23(28)25(30)26-17-18-8-5-4-6-9-18/h4-6,8-9,12-13,15-16,19H,2-3,7,10-11,14,17H2,1H3,(H,26,30)(H,27,29)
InChIKeyRMMVBVYUFTUCKM-UHFFFAOYSA-N
XLogP5.11
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
5-(cyclobutanecarbonylamino)-1-methyl-N-(2-methylpropyl)indole-2-carboxamide
CID 83280459
5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 83281992
5-[(3-methoxycyclohexanecarbonyl)amino]-N-(2-methoxyethyl)-1-(3-methylbutyl)indole-2-carboxamide
CID 91635069
N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]cyclobutanecarboxamide
CID 83287207
N-benzylcyclobutanecarboxamide
CID 730128
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83289572
N-benzyl-5-(thiophene-2-carbonylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 83289579
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
1-(benzylcarbamothioyl)-N-pentylpiperidine-4-carboxamide
CID 43076523

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide?
The IUPAC name of N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide (CID 91635045) is N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide is CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)C3CCC3)ccc21.
What is the InChIKey of N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide?
The InChIKey is RMMVBVYUFTUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-3-14-28-22-13-12-21(27-24(29)19-10-7-11-19)15-20(22)16-23(28)25(30)26-17-18-8-5-4-6-9-18/h4-6,8-9,12-13,15-16,19H,2-3,7,10-11,14,17H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide?
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide is sourced from PubChem (CID 91635045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).